SCHEMBL21890766

SCHEMBL21890766

CC(C)(C)OC(=O)N1CCCC[C@@H](n2c(N)nc3cc(OC(=O)N4CCOCC4)cc(Cl)c32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ PIK3CA P42336 6/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R2 O00459 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PIK3R5 Q8WYR1 1/20 0.38
▸ PIK3R3 Q92569 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ PIK3R1 P27986 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ TNF P01375 2/20 0.35
▸ LITAF Q99732 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17121730 0.85 BTK (0.43) BTKPIK3CACHEK2TNFLITAF
SCHEMBL19037547 0.84 BTK (0.42) BTKPIK3CACHEK2TNFLITAF
SCHEMBL18681336 0.83 BTK (0.41) BTKPIK3CACHEK2TNFLITAF
SCHEMBL18681435 0.81 EGFR (0.53) BTKPOLBTSHRPIK3CAPIK3CD
SCHEMBL21890147 0.81 PRMT5 (0.46) BTKUSP30CHEK2TNFLITAF
SCHEMBL16767775 0.80 HSD11B1 (0.46) BTKUSP30LMNATNFLITAF
SCHEMBL29531255 0.80 HSD11B1 (0.46) BTKUSP30LMNATNFLITAF
SCHEMBL16767773 0.80 HSD11B1 (0.46) BTKUSP30LMNATNFLITAF
SCHEMBL16901720 0.75 BTK (0.43) BTKUSP30PIK3CACHEK2TNF
SCHEMBL16901721 0.75 BTK (0.43) BTKUSP30PIK3CACHEK2TNF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CAPELLA THERAPEUTICS, INC. (US) 2020-03-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CHKB, CHKA, CHUK BTK 257/4885POLB 2072/4885TSHR 4505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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